CID 165664879

Methyl 6,6-dioxo-6lambda6-thia-3-azabicyclo[3.2.0]heptane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11NO4S
SMILES
COC(=O)C12CNCC1S(=O)(=O)C2
InChI
InChI=1S/C7H11NO4S/c1-12-6(9)7-3-8-2-5(7)13(10,11)4-7/h5,8H,2-4H2,1H3
InChIKey
MSTNRYVEHULOCB-UHFFFAOYSA-N
Compound name
methyl 6,6-dioxo-6lambda6-thia-3-azabicyclo[3.2.0]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04088 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04816 138.1
[M+Na]+ 228.03010 144.7
[M-H]- 204.03360 139.8
[M+NH4]+ 223.07470 155.2
[M+K]+ 244.00404 146.0
[M+H-H2O]+ 188.03814 130.1
[M+HCOO]- 250.03908 151.1
[M+CH3COO]- 264.05473 179.6
[M+Na-2H]- 226.01555 141.8
[M]+ 205.04033 148.6
[M]- 205.04143 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.